6-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]pyridazin-3-olate Openeye Name: 6-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]pyridazin-3-olate CAS Name: 6-[oxo-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]methyl]-3-pyridazinolate IUPAC Name: 6-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]pyridazin-3-olate Traditional Name: 6-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]pyridazin-3-olate Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=NN=C(C=C2)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=NN=C(C=C2)[O-]

InChI

InChI=1S/C13H20N4O2/c1-9(2)17-7-5-10(6-8-17)14-13(19)11-3-4-12(18)16-15-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,19)(H,16,18)